Several questions as a start: a) Have you tried lapw0_mpi ? This does not use any scalapack, just mpi operation splitting. I would verify that this works first. b) What version of mpi -- there are many. You need to ensure that you have the right commands in $WIENROOT/parallel_options for your flavor of mpi.
2012/1/30 David Tompsett <dat36 at cam.ac.uk>: > Dear All, > > I have recently attempted to recompile Wien2k version 11 and am having some > problems with the MPI parallel binary lapw1_mpi. I used a GNU reference > implementation of Scalapack and libsci. Unfortunately my cluster does not > have inter libraries. > > The compile completes with no errors, but upon running lapw1_mpi does not > print any eigenvalues, yet throws no errors: > EIGENVALUES ARE: > > ??????????? 0 EIGENVALUES BELOW THE ENERGY? -10.00000 > ?????? ******************************************************** > > There is simply nothing printed in case.output1up or case.energyup where the > eigenvalues should be. Has anyone seen such a problem before? Also, which > part of the source code should print these eigenvalues? I would like to > check if the problem is with IO by trying to flush the stream. > > Many thanks, > David Tompsett. > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > -- Professor Laurence Marks Department of Materials Science and Engineering Northwestern University www.numis.northwestern.edu 1-847-491-3996 "Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Gyorgi
